CID 174996513

C12H13O2Si — CID 174996513

IUPAC—
SMILESC=CC(=O)OCc1ccccc1C(C)[Si]
InChIInChI=1S/C12H13O2Si/c1-3-12(13)14-8-10-6-4-5-7-11(10)9(2)15/h3-7,9H,1,8H2,2H3
InChIKeyABHOVFCHQBPNNB-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.15
Rot. Bonds4

About CID 174996513

CID 174996513 (PubChem CID 174996513) has the molecular formula C12H13O2Si and a molecular weight of 217.32 g/mol.

Molecular Properties

Compound NameCID 174996513
PubChem CID174996513
Molecular FormulaC12H13O2Si
Molecular Weight217.32 g/mol
Exact Mass217.07
IUPAC Name—
SMILESC=CC(=O)OCc1ccccc1C(C)[Si]
InChIInChI=1S/C12H13O2Si/c1-3-12(13)14-8-10-6-4-5-7-11(10)9(2)15/h3-7,9H,1,8H2,2H3
InChIKeyABHOVFCHQBPNNB-UHFFFAOYSA-N
XLogP2.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 174996513?
The IUPAC name of CID 174996513 (CID 174996513) is not available.
What is the SMILES notation for CID 174996513?
The canonical SMILES for CID 174996513 is C=CC(=O)OCc1ccccc1C(C)[Si].
What is the InChIKey of CID 174996513?
The InChIKey is ABHOVFCHQBPNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13O2Si/c1-3-12(13)14-8-10-6-4-5-7-11(10)9(2)15/h3-7,9H,1,8H2,2H3.
What are the key properties of CID 174996513?
CID 174996513 has a molecular weight of 217.32 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174996513 is sourced from PubChem (CID 174996513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).